Information card for entry 7118646

Structure parameters

• Formula: C26 H14 F8 I2 N4
• Calculated formula: C26 H14 F8 I2 N4
• SMILES: c1cc(ccn1)C=C.c1(c(F)c(F)c(c(F)c1F)/N=N/c1c(c(c(I)c(F)c1F)F)F)I.c1cc(C=C)ccn1
• Title of publication: Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals
• Authors of publication: Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2103 - 2106
• a: 28.3 ± 0.004 Å
• b: 5.4157 ± 0.0007 Å
• c: 17.841 ± 0.002 Å
• α: 90°
• β: 96.287 ± 0.002°
• γ: 90°
• Cell volume: 2717.9 ± 0.6 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No